Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
Electronic States
Energy
(eV)
-539.56791
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.07196 b
(cm-1)
0.01474 c
(cm-1)
0.01223
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03093
0.00000
2
0.00000
0.03093
0.00000
3
0.07737
0.02092
0.00000
4
0.07737
-0.02092
0.00000
5
-0.07737
-0.02092
0.00000
6
-0.07737
0.02092
0.00000
7
-0.02705
0.02434
0.00000
8
-0.02705
-0.02434
0.00000
9
0.02705
-0.02434
0.00000
10
0.02705
0.02434
0.00000
11
0.00028
-0.01716
0.00000
12
0.00028
0.01716
0.00000
13
-0.00028
0.01716
0.00000
14
-0.00028
-0.01716
0.00000
15
0.00000
-0.48784
0.00000
16
0.00000
0.48784
0.00000
17
-0.02531
0.15332
0.00000
18
-0.02531
-0.15332
0.00000
19
0.02531
-0.15332
0.00000
20
0.02531
0.15332
0.00000
21
-0.04237
-0.04084
0.00000
22
-0.04237
0.04084
0.00000
23
0.04237
0.04084
0.00000
24
0.04237
-0.04084
0.00000